Isophthalanilic acid, 4'-carboxy-4-(2-(diethylamino)ethoxy)-, 4'-ethyl methyl ester

HCID 205402

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Basic information

CAS: 17925-93-8
Standard SMILES: CCOC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)ccc2OCCN(CC)CC)cc1
InChIKey: YVPVENAEPKEWTF-UHFFFAOYSA-N
Molecular formula: C24H30N2O6
Average molar mass: 442.5 g/mol
Monoisotopic mass: 442.21038668

Names & identifiers

Preferred name: Isophthalanilic acid, 4'-carboxy-4-(2-(diethylamino)ethoxy)-, 4'-ethyl methyl ester
IUPAC: methyl 4-[2-(diethylamino)ethoxy]-3-[(4-ethoxycarbonylphenyl)carbamoyl]benzoate

Names & synonyms

BRN 2924389SCO-8854'-Carbethoxy-5-carbomethoxy-2-(2-diethylaminoethoxy)benzanilideIsophthalanilic acid, 4'-carboxy-4-(2-(diethylamino)ethoxy)-, 4'-ethyl methyl ester17925-93-8DTXSID101707834'-Carbetossi-5-carbometossi-2-(2-dietilaminoetossi)benzanilide [Italian]4'-Ethyl methyl 4'-carboxy-4-(2-(diethylamino)ethoxy)isophthalanilate4'-Carbetossi-5-carbometossi-2-(2-dietilaminoetossi)benzanilideRefChem:349780DTXCID9093274methyl 4-[2-(diethylamino)ethoxy]-3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}benzoate

Database identifiers

CAS: 17925-93-8
PubChem CID: 205402
DTXSID: DTXSID10170783

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 94.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 13
Heavy atoms: 32
Formal charge: 0
Complexity: 601

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